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Related entries of code: 5lt6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4fmuRCSB PDB    PDBbind278aa, >4FMU_1|Chain... at 100%
5lssRCSB PDB    PDBbind295aa, >5LSS_1|Chain... *
5lsxRCSB PDB    PDBbind295aa, >5LSX_1|Chain... at 100%
5lsyRCSB PDB    PDBbind295aa, >5LSY_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5lt6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistone-lysine N-methyltransferase SETD2
Ligand Name76J
EC.Number E.C.2.1.1.43
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)IC50=3.9uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) ACS Chem. Biol. Vol. 11: pp. 3093-3105
Ligand Properties
Formula C20H35N7O5
Molecular Weight 453.536
Exact Mass 453.270
No. of atoms 67
No. of bonds 69
Polar Surface Area 200.86
LOGP Value -1.98      (Computed with XLOGP3)
-1.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q9BYW2  
Entrez Gene IDNCBI Entrez Gene ID: 29072  
ASDInformation of known allosteric effects of PDB entries

 
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